[2-oxidanyl-2-(phenylcarbonyl)cyclohexyl] 4-methylbenzenesulfonate

Systemtic Name: [2-oxidanyl-2-(phenylcarbonyl)cyclohexyl] 4-methylbenzenesulfonate Openeye Name: (2-benzoyl-2-hydroxy-cyclohexyl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (2-benzoyl-2-hydroxycyclohexyl) ester IUPAC Name: (2-benzoyl-2-hydroxycyclohexyl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (2-benzoyl-2-hydroxy-cyclohexyl) ester Formula: C20H22O5S MolecularWeight: 374.45068

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2CCCCC2(C(=O)C3=CC=CC=C3)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2CCCCC2(C(=O)C3=CC=CC=C3)O

InChI

InChI=1S/C20H22O5S/c1-15-10-12-17(13-11-15)26(23,24)25-18-9-5-6-14-20(18,22)19(21)16-7-3-2-4-8-16/h2-4,7-8,10-13,18,22H,5-6,9,14H2,1H3